Crystallography Open Database

Information card for entry 7214007

Preview

Coordinates	7214007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 N O19 Pr2
Calculated formula	C18 H18 N O19 Pr2
Title of publication	A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties
Authors of publication	Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	9
Pages of publication	1777
a	6.7147 ± 0.0013 Å
b	30.942 ± 0.006 Å
c	12.909 ± 0.004 Å
α	90°
β	120.14 ± 0.02°
γ	90°
Cell volume	2319.4 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.0942
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180471 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/40.	7214007.cif
105222	2014-03-11	cif/ Adding structures of 7214006, 7214007, 7214008, 7214009, 7214010, 7214011, 7214012 via cif-deposit CGI script.	7214007.cif